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CAS No.: | 102024-10-2 |
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Name: | benzo[c]acridin-7-ylmethyl acetate |
Molecular Structure: | |
Formula: | C20H15NO2 |
Molecular Weight: | 301.345 |
Synonyms: | Benz[c]acridine-7-methanol,acetate (6CI); |
Density: | 1.267 g/cm3 |
Boiling Point: | 507.6 °C at 760 mmHg |
Flash Point: | 260.8 °C |
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The IUPAC name of Benz[c]acridine-7-methanol,7-acetate is benzo[c]acridin-7-ylmethyl acetate. With the CAS registry number 102024-10-2, it is also named as Benz[c]acridine-7-methanol,acetate (6CI). In addition, its molecular formula is C20H15NO2 and its molecular weight is 301.3386.
The other characteristics of Benz[c]acridine-7-methanol,7-acetate can be summarized as: (1)ACD/LogP: 4.34; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 39.19 Å2; (7)Index of Refraction: 1.719; (8)Molar Refractivity: 93.82 cm3; (9)Molar Volume: 237.8 cm3; (10)Polarizability: 37.19×10-24cm3; (11)Surface Tension: 57.2 dyne/cm; (12)Density: 1.267 g/cm3; (13)Flash Point: 260.8 °C; (14)Enthalpy of Vaporization: 77.78 kJ/mol; (15)Boiling Point: 507.6 °C at 760 mmHg; (16)Vapour Pressure: 2E-10 mmHg at 25 °C.
People can use the following data to convert to the molecule structure.
(1)SMILES: O=C(OCc1c4c(nc2c1cccc2)c3ccccc3cc4)C
(2)InChI: InChI=1/C20H15NO2/c1-13(22)23-12-18-16-8-4-5-9-19(16)21-20-15-7-3-2-6-14(15)10-11-17(18)20/h2-11H,12H2,1H3
(3)InChIKey: KKDWNSNHFPIMSA-UHFFFAOYAX
(4)Std. InChI: InChI=1S/C20H15NO2/c1-13(22)23-12-18-16-8-4-5-9-19(16)21-20-15-7-3-2-6-14(15)10-11-17(18)20/h2-11H,12H2,1H3
(5)Std. InChIKey: KKDWNSNHFPIMSA-UHFFFAOYSA-N